1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide

C35H39FN8O4 — CID 164609794

IUPAC1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ncnc5c4CCN(CC4CCN(C)CC4)C5)c(F)c3)cn(CC3CC3)c2=O)nc1
InChIInChI=1S/C35H39FN8O4/c1-22-3-8-31(37-16-22)44-34(46)27(19-43(35(44)47)18-23-4-5-23)32(45)40-25-6-7-30(28(36)15-25)48-33-26-11-14-42(20-29(26)38-21-39-33)17-24-9-12-41(2)13-10-24/h3,6-8,15-16,19,21,23-24H,4-5,9-14,17-18,20H2,1-2H3,(H,40,45)
InChIKeyYLKNZRZBRWCKRM-UHFFFAOYSA-N
MW654.75 g/mol
LogP3.79
Rot. Bonds9

About 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide

1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 164609794) has the molecular formula C35H39FN8O4 and a molecular weight of 654.75 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID164609794
Molecular FormulaC35H39FN8O4
Molecular Weight654.75 g/mol
Exact Mass654.31
IUPAC Name1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ncnc5c4CCN(CC4CCN(C)CC4)C5)c(F)c3)cn(CC3CC3)c2=O)nc1
InChIInChI=1S/C35H39FN8O4/c1-22-3-8-31(37-16-22)44-34(46)27(19-43(35(44)47)18-23-4-5-23)32(45)40-25-6-7-30(28(36)15-25)48-33-26-11-14-42(20-29(26)38-21-39-33)17-24-9-12-41(2)13-10-24/h3,6-8,15-16,19,21,23-24H,4-5,9-14,17-18,20H2,1-2H3,(H,40,45)
InChIKeyYLKNZRZBRWCKRM-UHFFFAOYSA-N
XLogP3.79
TPSA127.48 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide (CID 164609794) is 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide is Cc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ncnc5c4CCN(CC4CCN(C)CC4)C5)c(F)c3)cn(CC3CC3)c2=O)nc1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is YLKNZRZBRWCKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39FN8O4/c1-22-3-8-31(37-16-22)44-34(46)27(19-43(35(44)47)18-23-4-5-23)32(45)40-25-6-7-30(28(36)15-25)48-33-26-11-14-42(20-29(26)38-21-39-33)17-24-9-12-41(2)13-10-24/h3,6-8,15-16,19,21,23-24H,4-5,9-14,17-18,20H2,1-2H3,(H,40,45).
What are the key properties of 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide?
1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 654.75 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 164609794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).